[(3S)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(3S)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3S)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3S)-1-methyl-1-(3-phenoxypropyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3S)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3S)-1-methyl-1-(3-phenoxypropyl)pyrrolidin-1-ium-3-yl] ester Formula: C27H36NO4+ MolecularWeight: 438.57904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC[C@@H](C1)OC(=O)[C@](C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C27H36NO4/c1-28(18-10-20-31-24-15-6-3-7-16-24)19-17-25(21-28)32-26(29)27(30,23-13-8-9-14-23)22-11-4-2-5-12-22/h2-7,11-12,15-16,23,25,30H,8-10,13-14,17-21H2,1H3/q+1/t25-,27+,28?/m0/s1